3-Bromo-2-isopropoxy-5-methylphenylboronic acid

• Catalog Number: ACM870718017-1
• Product Name: 3-Bromo-2-isopropoxy-5-methylphenylboronic acid
• CAS: 870718-01-7
• Category: Boronic Acids
• IUPAC Name: (3-bromo-5-methyl-2-propan-2-yloxyphenyl)boronic acid
• Molecular Weight: 272.93g/mol
• Molecular Formula: C10H14BBrO3
• Canonical SMILES: B(C1=CC(=CC(=C1OC(C)C)Br)C)(O)O
• InChI: InChI=1S/C10H14BBrO3/c1-6(2)15-10-8(11(13)14)4-7(3)5-9(10)12/h4-6,13-14H,1-3H3
• InChI Key: VTDMHYFQQWORBC-UHFFFAOYSA-N
• Complexity: 201
• Covalently-Bonded Unit Count: 1
• Exact Mass: 272.02194g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 15
• Monoisotopic Mass: 272.02194g/mol
• Rotatable Bond Count: 3

Custom Q&A

What is the molecular formula of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid?

The molecular formula of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid is C10H14BBrO3.

What is the molecular weight of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid?

The molecular weight of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid is 272.93 g/mol.

When was 3-Bromo-2-isopropoxy-5-methylphenylboronic acid created?

3-Bromo-2-isopropoxy-5-methylphenylboronic acid was created on September 13, 2005.

When was 3-Bromo-2-isopropoxy-5-methylphenylboronic acid last modified?

The last modification date of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid is December 2, 2023.

What is the IUPAC name of the compound?

The IUPAC name of the compound is (3-bromo-5-methyl-2-propan-2-yloxyphenyl)boronic acid.

What is the InChI of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid?

The InChI of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid is InChI=1S/C10H14BBrO3/c1-6(2)15-10-8(11(13)14)4-7(3)5-9(10)12/h4-6,13-14H,1-3H3.

What is the InChIKey of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid?

The InChIKey of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid is VTDMHYFQQWORBC-UHFFFAOYSA-N.

What is the canonical SMILES representation of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid?

The canonical SMILES representation of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid is B(C1=CC(=CC(=C1OC(C)C)Br)C)(O)O.

What is the CAS number of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid?

The CAS number of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid is 870718-01-7.

What is the hydrogen bond donor count of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid?

The hydrogen bond donor count of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid is 2.